N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

C7H10ClF3N2O — CID 89338940

IUPACN-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC1(CNC(=O)C(F)(F)F)CN(Cl)C1
InChIInChI=1S/C7H10ClF3N2O/c1-6(3-13(8)4-6)2-12-5(14)7(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyRZZBQAVHUCERAD-UHFFFAOYSA-N
MW230.62 g/mol
LogP1.14
Rot. Bonds2

About N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 89338940) has the molecular formula C7H10ClF3N2O and a molecular weight of 230.62 g/mol. Its IUPAC name is N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID89338940
Molecular FormulaC7H10ClF3N2O
Molecular Weight230.62 g/mol
Exact Mass230.04
IUPAC NameN-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC1(CNC(=O)C(F)(F)F)CN(Cl)C1
InChIInChI=1S/C7H10ClF3N2O/c1-6(3-13(8)4-6)2-12-5(14)7(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyRZZBQAVHUCERAD-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.62
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 89338940) is N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CC1(CNC(=O)C(F)(F)F)CN(Cl)C1.
What is the InChIKey of N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is RZZBQAVHUCERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3N2O/c1-6(3-13(8)4-6)2-12-5(14)7(9,10)11/h2-4H2,1H3,(H,12,14).
What are the key properties of N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 230.62 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89338940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).